[9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone

C24H19ClN2O — CID 163638075

IUPAC[9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone
SMILESC=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-17-21-9-5-6-10-22(21)24(19-11-13-20(25)14-12-19)26(17)15-16-27(24)23(28)18-7-3-2-4-8-18/h2-14H,1,15-16H2
InChIKeyIBXJBAJDUUWERR-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.98
Rot. Bonds2

About [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone

[9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone (PubChem CID 163638075) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone
PubChem CID163638075
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name[9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone
SMILESC=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-17-21-9-5-6-10-22(21)24(19-11-13-20(25)14-12-19)26(17)15-16-27(24)23(28)18-7-3-2-4-8-18/h2-14H,1,15-16H2
InChIKeyIBXJBAJDUUWERR-UHFFFAOYSA-N
XLogP4.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone?
The IUPAC name of [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone (CID 163638075) is [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone.
What is the SMILES notation for [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone?
The canonical SMILES for [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone is C=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)c1ccccc1.
What is the InChIKey of [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone?
The InChIKey is IBXJBAJDUUWERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-17-21-9-5-6-10-22(21)24(19-11-13-20(25)14-12-19)26(17)15-16-27(24)23(28)18-7-3-2-4-8-18/h2-14H,1,15-16H2.
What are the key properties of [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone?
[9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone has a molecular weight of 386.88 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9b-(4-chlorophenyl)-5-methylidene-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-phenylmethanone is sourced from PubChem (CID 163638075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).